CID 131752389

Benzoic acid, 2-(10-heptadecenyl)-6-hydroxy-, methyl ester, (z)-

Structural Information

Molecular Formula
C25H40O3
SMILES
CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)OC
InChI
InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8-
InChIKey
ASEOLGYFIXYYFV-HJWRWDBZSA-N
Compound name
methyl 2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.29776 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.30504 204.0
[M+Na]+ 411.28698 206.3
[M-H]- 387.29048 203.9
[M+NH4]+ 406.33158 215.2
[M+K]+ 427.26092 200.5
[M+H-H2O]+ 371.29502 195.7
[M+HCOO]- 433.29596 221.7
[M+CH3COO]- 447.31161 222.8
[M+Na-2H]- 409.27243 200.5
[M]+ 388.29721 210.7
[M]- 388.29831 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.